N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C10H17N3O4 — CID 107854505

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H17N3O4/c1-6-8(7(2)13-12-6)9(17)11-10(3-14,4-15)5-16/h14-16H,3-5H2,1-2H3,(H,11,17)(H,12,13)
InChIKeyLXVQVTKFMSISBW-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.53
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 107854505) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID107854505
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H17N3O4/c1-6-8(7(2)13-12-6)9(17)11-10(3-14,4-15)5-16/h14-16H,3-5H2,1-2H3,(H,11,17)(H,12,13)
InChIKeyLXVQVTKFMSISBW-UHFFFAOYSA-N
XLogP-1.53
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877509
2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796493
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
CID 103726335
N-(3,3-difluoro-2-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104026403
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104857235
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107483893
N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
CID 110026431
N-butyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 19382659
N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582853
3,5-dimethyl-N-(oxetan-3-yl)-1H-pyrazole-4-carboxamide
CID 80107728
3,5-dimethyl-N-(2-methylpropanoyl)-1H-pyrazole-4-carboxamide
CID 152573645
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500553

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 107854505) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is LXVQVTKFMSISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6-8(7(2)13-12-6)9(17)11-10(3-14,4-15)5-16/h14-16H,3-5H2,1-2H3,(H,11,17)(H,12,13).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -1.53, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107854505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).